2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C22H29N3O3 — CID 112796590

IUPAC2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC1CCCC(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1C
InChIInChI=1S/C22H29N3O3/c1-15-7-5-11-19(16(15)2)23-14-21(26)25-20-10-4-3-9-18(20)22(27)24-13-17-8-6-12-28-17/h3-4,6,8-10,12,15-16,19,23H,5,7,11,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJZRCMGSHAGVEAE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.56
Rot. Bonds7

About 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 112796590) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID112796590
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCC1CCCC(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1C
InChIInChI=1S/C22H29N3O3/c1-15-7-5-11-19(16(15)2)23-14-21(26)25-20-10-4-3-9-18(20)22(27)24-13-17-8-6-12-28-17/h3-4,6,8-10,12,15-16,19,23H,5,7,11,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJZRCMGSHAGVEAE-UHFFFAOYSA-N
XLogP3.56
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide with MolForge

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Related Compounds

2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 112811103
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8773092
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112804522
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694578
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 112796590) is 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CC1CCCC(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1C.
What is the InChIKey of 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JZRCMGSHAGVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-7-5-11-19(16(15)2)23-14-21(26)25-20-10-4-3-9-18(20)22(27)24-13-17-8-6-12-28-17/h3-4,6,8-10,12,15-16,19,23H,5,7,11,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 112796590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).